硫霉菌素 E
[CAS# 83753-76-8]

基本信息

• 产品名称: 硫霉菌素 E
• 英文名: Sulfurmycin E
• 别名: Methyl (1R,2S,4S)-2-Acetonyl-4-[(2R,4S,5S,6S)-4-Dimethylamino-5-[(2S,4S,5S,6S)-4-Hydroxy-5-[(2S,5R,6S)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,5,7-Trihydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate; (1R,2S,4S)-2-Acetonyl-4-[[(2R,4S,5S,6S)-4-Dimethylamino-5-[[(2S,4S,5S,6S)-4-Hydroxy-5-[[(2S,5R,6S)-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-2,5,7-Trihydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester; (1R,2S,4S)-2-Acetonyl-4-[(2R,4S,5S,6S)-4-Dimethylamino-5-[(2S,4S,5S,6S)-4-Hydroxy-5-[(2S,5R,6S)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,5,7-Trihydroxy-6,11-Diketo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester
• 分子式: C₄₃H₅₅NO₁₆
• 分子量: 841.90
• CAS 登录号: 83753-76-8
• 分子行输入简码 SMILES: [C@H]5(C1=CC7=C(C(=C1[C@@H](O[C@@H]4O[C@H]([C@@H](O[C@@H]3O[C@H]([C@@H](O[C@@H]2O[C@H]([C@H](O)CC2)C)[C@@H](O)C3)C)[C@@H](N(C)C)C4)C)C[C@]5(O)CC(=O)C)O)C(=O)C6=C(O)C=CC=C6C7=O)C(OC)=O
• 国际化学标识码 InChI: 1S/C43H55NO16/c1-18(45)16-43(53)17-29(34-23(36(43)42(52)54-7)13-24-35(39(34)51)38(50)33-22(37(24)49)9-8-10-27(33)47)58-31-14-25(44(5)6)40(20(3)56-31)60-32-15-28(48)41(21(4)57-32)59-30-12-11-26(46)19(2)55-30/h8-10,13,19-21,25-26,28-32,36,40-41,46-48,51,53H,11-12,14-17H2,1-7H3/t19-,20-,21-,25-,26+,28-,29-,30-,31-,32-,36-,40+,41+,43+/m0/s1
• 国际化学标识检索码 InChIKey: ONRDFNTYASFICP-VIKSYLFQSA-N

物理化学性质

• 密度: 1.443g/cm³ （计算值）
• 沸点: 933.167°C at 760 mmHg （计算值）
• 闪点: 518.161°C （计算值）